N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride

C20H34ClN3 — CID 146065183

IUPACN-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride
SMILESCl.c1ccc(CCCN(CCN2CCCC2)C2CCCNC2)cc1
InChIInChI=1S/C20H33N3.ClH/c1-2-8-19(9-3-1)10-7-15-23(20-11-6-12-21-18-20)17-16-22-13-4-5-14-22;/h1-3,8-9,20-21H,4-7,10-18H2;1H
InChIKeyOYOFIMHRGOHYKB-UHFFFAOYSA-N
MW351.97 g/mol
LogP3.19
Rot. Bonds8

About N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride

N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride (PubChem CID 146065183) has the molecular formula C20H34ClN3 and a molecular weight of 351.97 g/mol. Its IUPAC name is N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride
PubChem CID146065183
Molecular FormulaC20H34ClN3
Molecular Weight351.97 g/mol
Exact Mass351.24
IUPAC NameN-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride
SMILESCl.c1ccc(CCCN(CCN2CCCC2)C2CCCNC2)cc1
InChIInChI=1S/C20H33N3.ClH/c1-2-8-19(9-3-1)10-7-15-23(20-11-6-12-21-18-20)17-16-22-13-4-5-14-22;/h1-3,8-9,20-21H,4-7,10-18H2;1H
InChIKeyOYOFIMHRGOHYKB-UHFFFAOYSA-N
XLogP3.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.97
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzhydrylpiperazine
CID 70048
2-Benzylpiperidine
CID 118004
2-(4-Benzylpiperidin-1-yl)ethan-1-amine
CID 2779831
1-Phenethylpiperazine
CID 79214
1-Methyl-3-phenylpiperazine
CID 2760009
1-(3-Phenylpropyl)piperazine
CID 796534
1-(2-Phenylethyl)piperidin-4-amine
CID 10728788
3-Phenyl-8-azabicyclo[3.2.1]oct-2-ene
CID 10154356
1-(1,2-Diphenylethyl)piperazine
CID 12263801
1-(1,3-Diphenylpropyl)piperazine
CID 44414840
N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325
1-Benzylpiperazine hydrochloride
CID 2756653

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride (CID 146065183) is N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride is Cl.c1ccc(CCCN(CCN2CCCC2)C2CCCNC2)cc1.
What is the InChIKey of N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride?
The InChIKey is OYOFIMHRGOHYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3.ClH/c1-2-8-19(9-3-1)10-7-15-23(20-11-6-12-21-18-20)17-16-22-13-4-5-14-22;/h1-3,8-9,20-21H,4-7,10-18H2;1H.
What are the key properties of N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride?
N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride has a molecular weight of 351.97 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 146065183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).