N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride

C14H30ClN3 — CID 120847679

IUPACN,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCN(C)CC1CCN(CC2CCCNC2)CC1.Cl
InChIInChI=1S/C14H29N3.ClH/c1-16(2)11-13-5-8-17(9-6-13)12-14-4-3-7-15-10-14;/h13-15H,3-12H2,1-2H3;1H
InChIKeyGSGQCMSQDMTNBE-UHFFFAOYSA-N
MW275.87 g/mol
LogP1.68
Rot. Bonds4

About N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride

N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 120847679) has the molecular formula C14H30ClN3 and a molecular weight of 275.87 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID120847679
Molecular FormulaC14H30ClN3
Molecular Weight275.87 g/mol
Exact Mass275.21
IUPAC NameN,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCN(C)CC1CCN(CC2CCCNC2)CC1.Cl
InChIInChI=1S/C14H29N3.ClH/c1-16(2)11-13-5-8-17(9-6-13)12-14-4-3-7-15-10-14;/h13-15H,3-12H2,1-2H3;1H
InChIKeyGSGQCMSQDMTNBE-UHFFFAOYSA-N
XLogP1.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.87
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 174255823
N,N-dimethyl-1-[1-[(3-methylpiperidin-2-yl)methyl]piperidin-4-yl]methanamine
CID 107069105
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride (CID 120847679) is N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride is CN(C)CC1CCN(CC2CCCNC2)CC1.Cl.
What is the InChIKey of N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is GSGQCMSQDMTNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.ClH/c1-16(2)11-13-5-8-17(9-6-13)12-14-4-3-7-15-10-14;/h13-15H,3-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 275.87 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120847679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).