1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

C22H29N3O2 — CID 135093302

IUPAC1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
SMILESCOc1cccc(N2CCC(N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-26-21-4-2-3-20(14-21)25-11-7-19(8-12-25)24-22-16-27-15-18(22)13-17-5-9-23-10-6-17/h2-6,9-10,14,18-19,22,24H,7-8,11-13,15-16H2,1H3/t18-,22-/m1/s1
InChIKeyGAYBZFRITGBOOU-XMSQKQJNSA-N
MW367.49 g/mol
LogP2.91
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine (PubChem CID 135093302) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
PubChem CID135093302
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
SMILESCOc1cccc(N2CCC(N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-26-21-4-2-3-20(14-21)25-11-7-19(8-12-25)24-22-16-27-15-18(22)13-17-5-9-23-10-6-17/h2-6,9-10,14,18-19,22,24H,7-8,11-13,15-16H2,1H3/t18-,22-/m1/s1
InChIKeyGAYBZFRITGBOOU-XMSQKQJNSA-N
XLogP2.91
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
CID 91772882
1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one
CID 135116973
(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine
CID 135097042
2-(3-methylphenoxy)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699611
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine
CID 71648283
3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696817
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 56799978
2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135114364

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine (CID 135093302) is 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine is COc1cccc(N2CCC(N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The InChIKey is GAYBZFRITGBOOU-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-26-21-4-2-3-20(14-21)25-11-7-19(8-12-25)24-22-16-27-15-18(22)13-17-5-9-23-10-6-17/h2-6,9-10,14,18-19,22,24H,7-8,11-13,15-16H2,1H3/t18-,22-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine has a molecular weight of 367.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 135093302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).