N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine

C17H26F2N2 — CID 115523425

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C17H26F2N2/c1-14-5-2-3-11-21(14)12-4-10-20-13-15-6-8-16(9-7-15)17(18)19/h6-9,14,17,20H,2-5,10-13H2,1H3
InChIKeyYZQVAEKYKQVJMQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.98
Rot. Bonds7

About N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine

N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 115523425) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID115523425
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C17H26F2N2/c1-14-5-2-3-11-21(14)12-4-10-20-13-15-6-8-16(9-7-15)17(18)19/h6-9,14,17,20H,2-5,10-13H2,1H3
InChIKeyYZQVAEKYKQVJMQ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
N-[(3,4-difluorophenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43178246
3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
CID 7337527
N-[(1-ethylpyrrol-3-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 66397309
3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759298
N-[[4-(difluoromethyl)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115523506
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 43178235
N-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43224374
4-[[2-(2-methylpiperidin-1-yl)ethylamino]methyl]benzoic acid
CID 122030315
1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43095992

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 115523425) is N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is CC1CCCCN1CCCNCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is YZQVAEKYKQVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-14-5-2-3-11-21(14)12-4-10-20-13-15-6-8-16(9-7-15)17(18)19/h6-9,14,17,20H,2-5,10-13H2,1H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 296.40 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 115523425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).