N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C16H25FN4 — CID 78085720

IUPACN-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESFC1CNC(CNC2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C16H25FN4/c17-13-9-16(19-10-13)11-20-14-4-7-21(8-5-14)12-15-3-1-2-6-18-15/h1-3,6,13-14,16,19-20H,4-5,7-12H2
InChIKeyXXOBMDFZWVNUFW-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.34
Rot. Bonds5

About N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 78085720) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID78085720
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC NameN-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESFC1CNC(CNC2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C16H25FN4/c17-13-9-16(19-10-13)11-20-14-4-7-21(8-5-14)12-15-3-1-2-6-18-15/h1-3,6,13-14,16,19-20H,4-5,7-12H2
InChIKeyXXOBMDFZWVNUFW-UHFFFAOYSA-N
XLogP1.34
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol
CID 97108511
N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 56823418
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 78085720) is N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is FC1CNC(CNC2CCN(Cc3ccccn3)CC2)C1.
What is the InChIKey of N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is XXOBMDFZWVNUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c17-13-9-16(19-10-13)11-20-14-4-7-21(8-5-14)12-15-3-1-2-6-18-15/h1-3,6,13-14,16,19-20H,4-5,7-12H2.
What are the key properties of N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 292.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 78085720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).