(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine

C18H25FN4 — CID 28954232

IUPAC(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine
SMILESFc1ccccc1CN1CCC[C@H](NCCCn2cccn2)C1
InChIInChI=1S/C18H25FN4/c19-18-8-2-1-6-16(18)14-22-11-3-7-17(15-22)20-9-4-12-23-13-5-10-21-23/h1-2,5-6,8,10,13,17,20H,3-4,7,9,11-12,14-15H2/t17-/m0/s1
InChIKeyVMFKXCABEUUQKM-KRWDZBQOSA-N
MW316.42 g/mol
LogP2.67
Rot. Bonds7

About (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine

(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine (PubChem CID 28954232) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine
PubChem CID28954232
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC Name(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine
SMILESFc1ccccc1CN1CCC[C@H](NCCCn2cccn2)C1
InChIInChI=1S/C18H25FN4/c19-18-8-2-1-6-16(18)14-22-11-3-7-17(15-22)20-9-4-12-23-13-5-10-21-23/h1-2,5-6,8,10,13,17,20H,3-4,7,9,11-12,14-15H2/t17-/m0/s1
InChIKeyVMFKXCABEUUQKM-KRWDZBQOSA-N
XLogP2.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
CID 113412467
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 131918704
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine
CID 95870220
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 122557818
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
1-ethyl-2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906434
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115708654
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42594612
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45219277

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine?
The IUPAC name of (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine (CID 28954232) is (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine is Fc1ccccc1CN1CCC[C@H](NCCCn2cccn2)C1.
What is the InChIKey of (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine?
The InChIKey is VMFKXCABEUUQKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25FN4/c19-18-8-2-1-6-16(18)14-22-11-3-7-17(15-22)20-9-4-12-23-13-5-10-21-23/h1-2,5-6,8,10,13,17,20H,3-4,7,9,11-12,14-15H2/t17-/m0/s1.
What are the key properties of (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine?
(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine has a molecular weight of 316.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine is sourced from PubChem (CID 28954232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).