N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine

C16H33N3 — CID 106624585

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCN(CC1CCCNC1)C1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-4-18(13-15-6-5-9-17-12-15)16-7-10-19(11-8-16)14(2)3/h14-17H,4-13H2,1-3H3
InChIKeyKQQVRFAWPVPJQY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine

N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 106624585) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID106624585
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCN(CC1CCCNC1)C1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-4-18(13-15-6-5-9-17-12-15)16-7-10-19(11-8-16)14(2)3/h14-17H,4-13H2,1-3H3
InChIKeyKQQVRFAWPVPJQY-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine
CID 129413675
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-ethyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 142371504
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine (CID 106624585) is N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine is CCN(CC1CCCNC1)C1CCN(C(C)C)CC1.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is KQQVRFAWPVPJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-18(13-15-6-5-9-17-12-15)16-7-10-19(11-8-16)14(2)3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 106624585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).