(3-methylpiperidin-4-yl)methanamine;dihydrochloride

C7H18Cl2N2 — CID 135393057

IUPAC(3-methylpiperidin-4-yl)methanamine;dihydrochloride
SMILESCC1CNCCC1CN.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-6-5-9-3-2-7(6)4-8;;/h6-7,9H,2-5,8H2,1H3;2*1H
InChIKeyHKTFVNITYCCLGJ-UHFFFAOYSA-N
MW201.14 g/mol
LogP1.03
Rot. Bonds1

About (3-methylpiperidin-4-yl)methanamine;dihydrochloride

(3-methylpiperidin-4-yl)methanamine;dihydrochloride (PubChem CID 135393057) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is (3-methylpiperidin-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-methylpiperidin-4-yl)methanamine;dihydrochloride
PubChem CID135393057
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC Name(3-methylpiperidin-4-yl)methanamine;dihydrochloride
SMILESCC1CNCCC1CN.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-6-5-9-3-2-7(6)4-8;;/h6-7,9H,2-5,8H2,1H3;2*1H
InChIKeyHKTFVNITYCCLGJ-UHFFFAOYSA-N
XLogP1.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518
[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 82602052
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691
[3-(2-methylpropyl)piperidin-4-yl]methanamine
CID 84765835
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
3-methyl-4-(4-methylpentyl)piperidine
CID 106781094
(3-methylpiperidin-4-yl)methyl formate
CID 146493499
4-[(2,2-difluorocyclopropyl)methyl]-3-methylpiperidine
CID 164659806
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
CID 106777878
ethane;pyrrolidin-3-ylmethanamine
CID 142426131

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-4-yl)methanamine;dihydrochloride?
The IUPAC name of (3-methylpiperidin-4-yl)methanamine;dihydrochloride (CID 135393057) is (3-methylpiperidin-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (3-methylpiperidin-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (3-methylpiperidin-4-yl)methanamine;dihydrochloride is CC1CNCCC1CN.Cl.Cl.
What is the InChIKey of (3-methylpiperidin-4-yl)methanamine;dihydrochloride?
The InChIKey is HKTFVNITYCCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2ClH/c1-6-5-9-3-2-7(6)4-8;;/h6-7,9H,2-5,8H2,1H3;2*1H.
What are the key properties of (3-methylpiperidin-4-yl)methanamine;dihydrochloride?
(3-methylpiperidin-4-yl)methanamine;dihydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 135393057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).