N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C17H27N3O2 — CID 56708226

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCCO[C@H]1COC[C@@H]1NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-22-17-13-21-12-16(17)19-14-6-9-20(10-7-14)11-15-5-3-4-8-18-15/h3-5,8,14,16-17,19H,2,6-7,9-13H2,1H3/t16-,17-/m0/s1
InChIKeyDJQZYQRYVCUBMS-IRXDYDNUSA-N
MW305.42 g/mol
LogP1.44
Rot. Bonds6

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 56708226) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID56708226
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCCO[C@H]1COC[C@@H]1NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-22-17-13-21-12-16(17)19-14-6-9-20(10-7-14)11-15-5-3-4-8-18-15/h3-5,8,14,16-17,19H,2,6-7,9-13H2,1H3/t16-,17-/m0/s1
InChIKeyDJQZYQRYVCUBMS-IRXDYDNUSA-N
XLogP1.44
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 138044549
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
(3R)-3-ethoxy-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97450678
(5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one
CID 126803078
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 96531141
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 56708226) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is CCO[C@H]1COC[C@@H]1NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is DJQZYQRYVCUBMS-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-22-17-13-21-12-16(17)19-14-6-9-20(10-7-14)11-15-5-3-4-8-18-15/h3-5,8,14,16-17,19H,2,6-7,9-13H2,1H3/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 305.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56708226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).