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

C22H29N3O — CID 129488964

IUPAC(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine
SMILESc1ccc(CN2CCC[C@H](N[C@H]3CCCO[C@@H]3c3ccncc3)C2)cc1
InChIInChI=1S/C22H29N3O/c1-2-6-18(7-3-1)16-25-14-4-8-20(17-25)24-21-9-5-15-26-22(21)19-10-12-23-13-11-19/h1-3,6-7,10-13,20-22,24H,4-5,8-9,14-17H2/t20-,21-,22+/m0/s1
InChIKeyABKVPUQUVMSECS-FDFHNCONSA-N
MW351.49 g/mol
LogP3.56
Rot. Bonds5

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

(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine (PubChem CID 129488964) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine
PubChem CID129488964
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine
SMILESc1ccc(CN2CCC[C@H](N[C@H]3CCCO[C@@H]3c3ccncc3)C2)cc1
InChIInChI=1S/C22H29N3O/c1-2-6-18(7-3-1)16-25-14-4-8-20(17-25)24-21-9-5-15-26-22(21)19-10-12-23-13-11-19/h1-3,6-7,10-13,20-22,24H,4-5,8-9,14-17H2/t20-,21-,22+/m0/s1
InChIKeyABKVPUQUVMSECS-FDFHNCONSA-N
XLogP3.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine with MolForge

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Related Compounds

1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine
CID 128996135
1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
CID 128998209
1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine
CID 129007166
1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
CID 64590674
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
1-benzyl-N-(3-methylcyclopentyl)piperidin-3-amine
CID 64592184
(2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine
CID 129476221
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine (CID 129488964) is (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine is c1ccc(CN2CCC[C@H](N[C@H]3CCCO[C@@H]3c3ccncc3)C2)cc1.
What is the InChIKey of (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine?
The InChIKey is ABKVPUQUVMSECS-FDFHNCONSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-6-18(7-3-1)16-25-14-4-8-20(17-25)24-21-9-5-15-26-22(21)19-10-12-23-13-11-19/h1-3,6-7,10-13,20-22,24H,4-5,8-9,14-17H2/t20-,21-,22+/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine?
(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine has a molecular weight of 351.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine is sourced from PubChem (CID 129488964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).