3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine

C19H26N4 — CID 174350216

IUPAC3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine
SMILESNc1ncccc1CNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H26N4/c20-19-17(7-4-11-21-19)15-22-18-9-13-23(14-10-18)12-8-16-5-2-1-3-6-16/h1-7,11,18,22H,8-10,12-15H2,(H2,20,21)
InChIKeyQORGUBLSFSCKAZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.46
Rot. Bonds6

About 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine

3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine (PubChem CID 174350216) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine
PubChem CID174350216
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine
SMILESNc1ncccc1CNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H26N4/c20-19-17(7-4-11-21-19)15-22-18-9-13-23(14-10-18)12-8-16-5-2-1-3-6-16/h1-7,11,18,22H,8-10,12-15H2,(H2,20,21)
InChIKeyQORGUBLSFSCKAZ-UHFFFAOYSA-N
XLogP2.46
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine with MolForge

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Related Compounds

3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
CID 18321349
N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 106415219
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine?
The IUPAC name of 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine (CID 174350216) is 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine is Nc1ncccc1CNC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine?
The InChIKey is QORGUBLSFSCKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c20-19-17(7-4-11-21-19)15-22-18-9-13-23(14-10-18)12-8-16-5-2-1-3-6-16/h1-7,11,18,22H,8-10,12-15H2,(H2,20,21).
What are the key properties of 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine?
3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine has a molecular weight of 310.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 174350216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).