N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine

C16H21F3N2 — CID 104869676

IUPACN-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
SMILESFc1cc(F)c(CN2CCC(NCC3CC3)CC2)cc1F
InChIInChI=1S/C16H21F3N2/c17-14-8-16(19)15(18)7-12(14)10-21-5-3-13(4-6-21)20-9-11-1-2-11/h7-8,11,13,20H,1-6,9-10H2
InChIKeyHGCWOJMQHHBZAZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.07
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine (PubChem CID 104869676) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
PubChem CID104869676
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
SMILESFc1cc(F)c(CN2CCC(NCC3CC3)CC2)cc1F
InChIInChI=1S/C16H21F3N2/c17-14-8-16(19)15(18)7-12(14)10-21-5-3-13(4-6-21)20-9-11-1-2-11/h7-8,11,13,20H,1-6,9-10H2
InChIKeyHGCWOJMQHHBZAZ-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine (CID 104869676) is N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine is Fc1cc(F)c(CN2CCC(NCC3CC3)CC2)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine?
The InChIKey is HGCWOJMQHHBZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-14-8-16(19)15(18)7-12(14)10-21-5-3-13(4-6-21)20-9-11-1-2-11/h7-8,11,13,20H,1-6,9-10H2.
What are the key properties of N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 104869676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).