N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine

C16H21N5 — CID 43675618

IUPACN-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCC(NC1CCN(c2ncccn2)CC1)c1cccnc1
InChIInChI=1S/C16H21N5/c1-13(14-4-2-7-17-12-14)20-15-5-10-21(11-6-15)16-18-8-3-9-19-16/h2-4,7-9,12-13,15,20H,5-6,10-11H2,1H3
InChIKeyAVKAOHRNRBSVHI-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.19
Rot. Bonds4

About N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine

N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 43675618) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID43675618
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCC(NC1CCN(c2ncccn2)CC1)c1cccnc1
InChIInChI=1S/C16H21N5/c1-13(14-4-2-7-17-12-14)20-15-5-10-21(11-6-15)16-18-8-3-9-19-16/h2-4,7-9,12-13,15,20H,5-6,10-11H2,1H3
InChIKeyAVKAOHRNRBSVHI-UHFFFAOYSA-N
XLogP2.19
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-4-yl-N-(1-pyridin-3-ylethyl)piperidin-4-amine
CID 43343785
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide
CID 125167230

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine (CID 43675618) is N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine is CC(NC1CCN(c2ncccn2)CC1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is AVKAOHRNRBSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-13(14-4-2-7-17-12-14)20-15-5-10-21(11-6-15)16-18-8-3-9-19-16/h2-4,7-9,12-13,15,20H,5-6,10-11H2,1H3.
What are the key properties of N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43675618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).