(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine

C21H35N3O — CID 29001663

IUPAC(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine
SMILESCC(C)CCC[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CCO1
InChIInChI=1S/C21H35N3O/c1-18(2)6-5-8-21-17-24(14-15-25-21)20-9-12-23(13-10-20)16-19-7-3-4-11-22-19/h3-4,7,11,18,20-21H,5-6,8-10,12-17H2,1-2H3/t21-/m1/s1
InChIKeyGKLTXNOHFDTKLW-OAQYLSRUSA-N
MW345.53 g/mol
LogP3.57
Rot. Bonds7

About (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine

(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine (PubChem CID 29001663) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine
PubChem CID29001663
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine
SMILESCC(C)CCC[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CCO1
InChIInChI=1S/C21H35N3O/c1-18(2)6-5-8-21-17-24(14-15-25-21)20-9-12-23(13-10-20)16-19-7-3-4-11-22-19/h3-4,7,11,18,20-21H,5-6,8-10,12-17H2,1-2H3/t21-/m1/s1
InChIKeyGKLTXNOHFDTKLW-OAQYLSRUSA-N
XLogP3.57
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine
CID 95129576
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol
CID 70721365
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
CID 91011302
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
1-ethyl-3-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]urea
CID 95197566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine?
The IUPAC name of (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine (CID 29001663) is (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine.
What is the SMILES notation for (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine?
The canonical SMILES for (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine is CC(C)CCC[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CCO1.
What is the InChIKey of (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine?
The InChIKey is GKLTXNOHFDTKLW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H35N3O/c1-18(2)6-5-8-21-17-24(14-15-25-21)20-9-12-23(13-10-20)16-19-7-3-4-11-22-19/h3-4,7,11,18,20-21H,5-6,8-10,12-17H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine?
(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine has a molecular weight of 345.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 29001663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).