N-(chloromethyl)-1-piperidin-4-ylmethanamine

C7H15ClN2 — CID 134365297

IUPACN-(chloromethyl)-1-piperidin-4-ylmethanamine
SMILESClCNCC1CCNCC1
InChIInChI=1S/C7H15ClN2/c8-6-10-5-7-1-3-9-4-2-7/h7,9-10H,1-6H2
InChIKeyCQIFBOKXZAFBSE-UHFFFAOYSA-N
MW162.66 g/mol
LogP0.77
Rot. Bonds3

About N-(chloromethyl)-1-piperidin-4-ylmethanamine

N-(chloromethyl)-1-piperidin-4-ylmethanamine (PubChem CID 134365297) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is N-(chloromethyl)-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-1-piperidin-4-ylmethanamine
PubChem CID134365297
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC NameN-(chloromethyl)-1-piperidin-4-ylmethanamine
SMILESClCNCC1CCNCC1
InChIInChI=1S/C7H15ClN2/c8-6-10-5-7-1-3-9-4-2-7/h7,9-10H,1-6H2
InChIKeyCQIFBOKXZAFBSE-UHFFFAOYSA-N
XLogP0.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
2-(piperidin-4-ylmethylamino)acetic acid
CID 67168932
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol
CID 106120847
1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
CID 117234637
3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine
CID 102904206
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
N-methyl-2-(piperidin-4-ylmethylamino)acetamide
CID 79708074
2-[2-(piperidin-4-ylmethylamino)ethoxy]ethanol
CID 79708237
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
N-[(2-methylcyclohexyl)methyl]-1-piperidin-4-ylmethanamine
CID 79708112

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-1-piperidin-4-ylmethanamine?
The IUPAC name of N-(chloromethyl)-1-piperidin-4-ylmethanamine (CID 134365297) is N-(chloromethyl)-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-(chloromethyl)-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-(chloromethyl)-1-piperidin-4-ylmethanamine is ClCNCC1CCNCC1.
What is the InChIKey of N-(chloromethyl)-1-piperidin-4-ylmethanamine?
The InChIKey is CQIFBOKXZAFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2/c8-6-10-5-7-1-3-9-4-2-7/h7,9-10H,1-6H2.
What are the key properties of N-(chloromethyl)-1-piperidin-4-ylmethanamine?
N-(chloromethyl)-1-piperidin-4-ylmethanamine has a molecular weight of 162.66 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 134365297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).