trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol

C17H26BrN3O2 — CID 163265436

IUPACtrans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol
SMILESC[C@@H]1CN(Cc2cc(Br)nc(N[C@@H]3CC[C@@H](O)C3)c2)C[C@H](C)O1
InChIInChI=1S/C17H26BrN3O2/c1-11-8-21(9-12(2)23-11)10-13-5-16(18)20-17(6-13)19-14-3-4-15(22)7-14/h5-6,11-12,14-15,22H,3-4,7-10H2,1-2H3,(H,19,20)/t11-,12+,14-,15-/m1/s1
InChIKeyJOYPYCZMQBWAQD-AYRXBEOTSA-N
MW384.32 g/mol
LogP2.78
Rot. Bonds4

About trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol

trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol (PubChem CID 163265436) has the molecular formula C17H26BrN3O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol
PubChem CID163265436
Molecular FormulaC17H26BrN3O2
Molecular Weight384.32 g/mol
Exact Mass383.12
IUPAC Nametrans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol
SMILESC[C@@H]1CN(Cc2cc(Br)nc(N[C@@H]3CC[C@@H](O)C3)c2)C[C@H](C)O1
InChIInChI=1S/C17H26BrN3O2/c1-11-8-21(9-12(2)23-11)10-13-5-16(18)20-17(6-13)19-14-3-4-15(22)7-14/h5-6,11-12,14-15,22H,3-4,7-10H2,1-2H3,(H,19,20)/t11-,12+,14-,15-/m1/s1
InChIKeyJOYPYCZMQBWAQD-AYRXBEOTSA-N
XLogP2.78
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 163265461
tert-butyl 4-[[2-bromo-6-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 163265449
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189738
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189737
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
1-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 56941863
2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 3537388
1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol
CID 123656298
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
2,6-dimethyl-4-(2-pyrazol-1-ylethyl)morpholine
CID 172900914

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol (CID 163265436) is trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol is C[C@@H]1CN(Cc2cc(Br)nc(N[C@@H]3CC[C@@H](O)C3)c2)C[C@H](C)O1.
What is the InChIKey of trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol?
The InChIKey is JOYPYCZMQBWAQD-AYRXBEOTSA-N. The full InChI is InChI=1S/C17H26BrN3O2/c1-11-8-21(9-12(2)23-11)10-13-5-16(18)20-17(6-13)19-14-3-4-15(22)7-14/h5-6,11-12,14-15,22H,3-4,7-10H2,1-2H3,(H,19,20)/t11-,12+,14-,15-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol?
trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol has a molecular weight of 384.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[6-bromo-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-pyridinyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 163265436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).