N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C15H23N3 — CID 62284581

IUPACN-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCCN(c2ccnc(CNC3CC3)c2)C1
InChIInChI=1S/C15H23N3/c1-12-3-2-8-18(11-12)15-6-7-16-14(9-15)10-17-13-4-5-13/h6-7,9,12-13,17H,2-5,8,10-11H2,1H3
InChIKeyRKJBEPLBCKFXRQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.57
Rot. Bonds4

About N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62284581) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62284581
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCCN(c2ccnc(CNC3CC3)c2)C1
InChIInChI=1S/C15H23N3/c1-12-3-2-8-18(11-12)15-6-7-16-14(9-15)10-17-13-4-5-13/h6-7,9,12-13,17H,2-5,8,10-11H2,1H3
InChIKeyRKJBEPLBCKFXRQ-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 62284581) is N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CC1CCCN(c2ccnc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is RKJBEPLBCKFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-3-2-8-18(11-12)15-6-7-16-14(9-15)10-17-13-4-5-13/h6-7,9,12-13,17H,2-5,8,10-11H2,1H3.
What are the key properties of N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 245.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62284581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).