3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine

C10H21ClN2 — CID 115215684

IUPAC3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
SMILESCN1CCCC(CNCCCCl)C1
InChIInChI=1S/C10H21ClN2/c1-13-7-2-4-10(9-13)8-12-6-3-5-11/h10,12H,2-9H2,1H3
InChIKeyRHHXYZRCGHNJOK-UHFFFAOYSA-N
MW204.74 g/mol
LogP1.55
Rot. Bonds5

About 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine

3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine (PubChem CID 115215684) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
PubChem CID115215684
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
SMILESCN1CCCC(CNCCCCl)C1
InChIInChI=1S/C10H21ClN2/c1-13-7-2-4-10(9-13)8-12-6-3-5-11/h10,12H,2-9H2,1H3
InChIKeyRHHXYZRCGHNJOK-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007547
N-[(1-methylpiperidin-3-yl)methyl]pent-3-yn-1-amine
CID 104806624
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706
N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615490
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine (CID 115215684) is 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine is CN1CCCC(CNCCCCl)C1.
What is the InChIKey of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine?
The InChIKey is RHHXYZRCGHNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-13-7-2-4-10(9-13)8-12-6-3-5-11/h10,12H,2-9H2,1H3.
What are the key properties of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine?
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine has a molecular weight of 204.74 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115215684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).